U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Al19Co6 by Materials Project
Abstract
Co6Al19 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are five inequivalent Co sites. In the first Co site, Co is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of Co–Al bond distances ranging from 2.39–2.95 Å. In the second Co site, Co is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.33–2.68 Å. In the third Co site, Co is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.33–2.76 Å. In the fourth Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.33–2.60 Å. In the fifth Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.23–2.58 Å. There are fourteen inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three Co and two Al atoms. There are one shorter (2.78 Å) and one longer (2.86 Å) Al–Al bond lengths. In the secondmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1215090
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Al19Co6; Al-Co
- OSTI Identifier:
- 1718802
- DOI:
- https://doi.org/10.17188/1718802
Citation Formats
The Materials Project. Materials Data on Al19Co6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1718802.
The Materials Project. Materials Data on Al19Co6 by Materials Project. United States. doi:https://doi.org/10.17188/1718802
The Materials Project. 2020.
"Materials Data on Al19Co6 by Materials Project". United States. doi:https://doi.org/10.17188/1718802. https://www.osti.gov/servlets/purl/1718802. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1718802,
title = {Materials Data on Al19Co6 by Materials Project},
author = {The Materials Project},
abstractNote = {Co6Al19 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are five inequivalent Co sites. In the first Co site, Co is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of Co–Al bond distances ranging from 2.39–2.95 Å. In the second Co site, Co is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.33–2.68 Å. In the third Co site, Co is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.33–2.76 Å. In the fourth Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.33–2.60 Å. In the fifth Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.23–2.58 Å. There are fourteen inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three Co and two Al atoms. There are one shorter (2.78 Å) and one longer (2.86 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 4-coordinate geometry to four Co atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to three Co and two equivalent Al atoms. There are one shorter (2.73 Å) and one longer (2.83 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 4-coordinate geometry to four Co and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.51–2.72 Å. In the fifth Al site, Al is bonded in a distorted linear geometry to two Co and one Al atom. In the sixth Al site, Al is bonded in a 3-coordinate geometry to three Co atoms. In the seventh Al site, Al is bonded in a linear geometry to two Co and four equivalent Al atoms. There are two shorter (2.71 Å) and two longer (2.87 Å) Al–Al bond lengths. In the eighth Al site, Al is bonded in a 3-coordinate geometry to three Co and two equivalent Al atoms. Both Al–Al bond lengths are 2.84 Å. In the ninth Al site, Al is bonded in a 3-coordinate geometry to four Co and three Al atoms. Both Al–Al bond lengths are 2.60 Å. In the tenth Al site, Al is bonded in a distorted bent 150 degrees geometry to three Co and one Al atom. In the eleventh Al site, Al is bonded in a linear geometry to two equivalent Co and two equivalent Al atoms. Both Al–Al bond lengths are 2.92 Å. In the twelfth Al site, Al is bonded in a 12-coordinate geometry to three Co and nine Al atoms. The Al–Al bond length is 2.71 Å. In the thirteenth Al site, Al is bonded in a 4-coordinate geometry to four Co and two equivalent Al atoms. In the fourteenth Al site, Al is bonded in a 3-coordinate geometry to three Co atoms.},
doi = {10.17188/1718802},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}